USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.195! C(o=1.4!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 154:sc= 0.816 (180deg=0.452) USER MOD Single : A 3 MET CE :methyl -156:sc= -0.86 (180deg=-1.64) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -150:sc= -1.08 USER MOD Single : A 11 THR OG1 : rot 161:sc= 2.17 USER MOD Single : A 15 TYR OH : rot -114:sc= 1.17 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -41:sc= 0.102 USER MOD Single : A 19 ASN : amide:sc= -0.0472 K(o=-0.047,f=-6.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.585 USER MOD Single : A 32 HIS : no HE2:sc= -0.0572 K(o=-0.057,f=-0.77) USER MOD Single : A 35 SER OG : rot 180:sc= -0.102 USER MOD Single : A 38 THR OG1 : rot -105:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.1) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.604 F(o=-1.5,f=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 64 SER OG : rot -123:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.123 -0.394 1.837 1.00 0.00 N ATOM 2 CA GLY A 1 -13.868 -1.756 1.409 1.00 0.00 C ATOM 3 C GLY A 1 -12.430 -1.936 1.023 1.00 0.00 C ATOM 4 O GLY A 1 -11.565 -1.172 1.457 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.124 -0.162 1.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.902 -0.301 2.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.525 0.259 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.122 -2.447 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.509 -2.001 0.562 1.00 0.00 H new ATOM 10 N ALA A 2 -12.160 -2.943 0.233 1.00 0.00 N ATOM 11 CA ALA A 2 -10.833 -3.165 -0.285 1.00 0.00 C ATOM 12 C ALA A 2 -10.709 -2.468 -1.627 1.00 0.00 C ATOM 13 O ALA A 2 -9.641 -2.048 -2.022 1.00 0.00 O ATOM 14 CB ALA A 2 -10.547 -4.644 -0.411 1.00 0.00 C ATOM 0 H ALA A 2 -12.850 -3.630 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.097 -2.751 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.540 -4.788 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.625 -5.114 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.269 -5.098 -1.090 1.00 0.00 H new ATOM 20 N MET A 3 -11.835 -2.356 -2.305 1.00 0.00 N ATOM 21 CA MET A 3 -11.950 -1.620 -3.548 1.00 0.00 C ATOM 22 C MET A 3 -13.418 -1.437 -3.854 1.00 0.00 C ATOM 23 O MET A 3 -14.047 -2.304 -4.455 1.00 0.00 O ATOM 24 CB MET A 3 -11.242 -2.327 -4.728 1.00 0.00 C ATOM 25 CG MET A 3 -11.287 -1.534 -6.033 1.00 0.00 C ATOM 26 SD MET A 3 -10.489 -2.370 -7.431 1.00 0.00 S ATOM 27 CE MET A 3 -8.806 -2.504 -6.832 1.00 0.00 C ATOM 0 H MET A 3 -12.711 -2.782 -2.001 1.00 0.00 H new ATOM 0 HA MET A 3 -11.454 -0.657 -3.425 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.202 -2.510 -4.459 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.706 -3.300 -4.888 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.327 -1.333 -6.289 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.805 -0.569 -5.877 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.124 -2.587 -7.678 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.555 -1.617 -6.250 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.713 -3.389 -6.203 1.00 0.00 H new ATOM 37 N GLY A 4 -13.987 -0.358 -3.376 1.00 0.00 N ATOM 38 CA GLY A 4 -15.387 -0.122 -3.619 1.00 0.00 C ATOM 39 C GLY A 4 -15.645 1.245 -4.171 1.00 0.00 C ATOM 40 O GLY A 4 -16.495 1.426 -5.039 1.00 0.00 O ATOM 0 H GLY A 4 -13.512 0.358 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.764 -0.870 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.941 -0.246 -2.689 1.00 0.00 H new ATOM 44 N ALA A 5 -14.917 2.211 -3.686 1.00 0.00 N ATOM 45 CA ALA A 5 -15.083 3.577 -4.128 1.00 0.00 C ATOM 46 C ALA A 5 -13.730 4.157 -4.417 1.00 0.00 C ATOM 47 O ALA A 5 -13.554 5.367 -4.415 1.00 0.00 O ATOM 48 CB ALA A 5 -15.787 4.383 -3.045 1.00 0.00 C ATOM 0 H ALA A 5 -14.195 2.081 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.691 3.609 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.911 5.413 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.765 3.946 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.189 4.368 -2.134 1.00 0.00 H new ATOM 54 N LYS A 6 -12.794 3.262 -4.742 1.00 0.00 N ATOM 55 CA LYS A 6 -11.383 3.593 -4.924 1.00 0.00 C ATOM 56 C LYS A 6 -10.791 4.017 -3.603 1.00 0.00 C ATOM 57 O LYS A 6 -10.938 5.170 -3.153 1.00 0.00 O ATOM 58 CB LYS A 6 -11.102 4.635 -6.036 1.00 0.00 C ATOM 59 CG LYS A 6 -11.212 4.121 -7.475 1.00 0.00 C ATOM 60 CD LYS A 6 -12.622 3.722 -7.862 1.00 0.00 C ATOM 61 CE LYS A 6 -12.663 3.196 -9.283 1.00 0.00 C ATOM 62 NZ LYS A 6 -14.022 2.817 -9.690 1.00 0.00 N ATOM 0 H LYS A 6 -13.000 2.274 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.893 2.685 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.797 5.466 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.098 5.034 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.860 4.894 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.552 3.262 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.990 2.959 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.286 4.581 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.280 3.957 -9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.004 2.332 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.005 2.463 -10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.379 2.072 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.646 3.647 -9.633 1.00 0.00 H new ATOM 76 N GLU A 7 -10.154 3.086 -2.973 1.00 0.00 N ATOM 77 CA GLU A 7 -9.633 3.298 -1.669 1.00 0.00 C ATOM 78 C GLU A 7 -8.208 3.792 -1.846 1.00 0.00 C ATOM 79 O GLU A 7 -7.467 3.267 -2.694 1.00 0.00 O ATOM 80 CB GLU A 7 -9.618 1.985 -0.877 1.00 0.00 C ATOM 81 CG GLU A 7 -10.763 0.996 -1.165 1.00 0.00 C ATOM 82 CD GLU A 7 -12.164 1.477 -0.853 1.00 0.00 C ATOM 83 OE1 GLU A 7 -12.530 1.574 0.348 1.00 0.00 O ATOM 84 OE2 GLU A 7 -12.965 1.693 -1.805 1.00 0.00 O ATOM 0 H GLU A 7 -9.981 2.155 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.246 4.015 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.673 1.479 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.635 2.227 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.722 0.724 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.580 0.086 -0.594 1.00 0.00 H new ATOM 91 N TYR A 8 -7.813 4.776 -1.097 1.00 0.00 N ATOM 92 CA TYR A 8 -6.488 5.325 -1.259 1.00 0.00 C ATOM 93 C TYR A 8 -5.829 5.424 0.077 1.00 0.00 C ATOM 94 O TYR A 8 -6.471 5.804 1.053 1.00 0.00 O ATOM 95 CB TYR A 8 -6.519 6.720 -1.904 1.00 0.00 C ATOM 96 CG TYR A 8 -7.177 6.802 -3.271 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.546 6.309 -4.407 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.423 7.392 -3.426 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.140 6.404 -5.652 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.020 7.495 -4.661 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.377 7.002 -5.772 1.00 0.00 C ATOM 102 OH TYR A 8 -8.975 7.110 -7.009 1.00 0.00 O ATOM 0 H TYR A 8 -8.378 5.217 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.931 4.659 -1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.040 7.400 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.495 7.081 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.576 5.844 -4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.936 7.779 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.639 6.012 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.989 7.961 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.843 7.556 -6.915 1.00 0.00 H new ATOM 112 N CYS A 9 -4.588 5.081 0.140 1.00 0.00 N ATOM 113 CA CYS A 9 -3.843 5.193 1.363 1.00 0.00 C ATOM 114 C CYS A 9 -2.622 6.053 1.135 1.00 0.00 C ATOM 115 O CYS A 9 -1.985 5.956 0.087 1.00 0.00 O ATOM 116 CB CYS A 9 -3.461 3.807 1.893 1.00 0.00 C ATOM 117 SG CYS A 9 -2.584 2.762 0.704 1.00 0.00 S ATOM 0 H CYS A 9 -4.055 4.715 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.465 5.670 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.837 3.930 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.367 3.291 2.211 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.851 1.513 0.945 1.00 0.00 H new ATOM 123 N ARG A 10 -2.314 6.910 2.073 1.00 0.00 N ATOM 124 CA ARG A 10 -1.156 7.745 1.946 1.00 0.00 C ATOM 125 C ARG A 10 -0.119 7.257 2.906 1.00 0.00 C ATOM 126 O ARG A 10 -0.427 6.952 4.064 1.00 0.00 O ATOM 127 CB ARG A 10 -1.464 9.222 2.191 1.00 0.00 C ATOM 128 CG ARG A 10 -0.345 10.152 1.738 1.00 0.00 C ATOM 129 CD ARG A 10 -0.715 11.608 1.897 1.00 0.00 C ATOM 130 NE ARG A 10 0.274 12.496 1.264 1.00 0.00 N ATOM 131 CZ ARG A 10 0.344 13.825 1.448 1.00 0.00 C ATOM 132 NH1 ARG A 10 -0.544 14.443 2.222 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.299 14.533 0.837 1.00 0.00 N ATOM 0 H ARG A 10 -2.850 7.046 2.930 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.793 7.679 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.382 9.487 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.648 9.377 3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.556 9.942 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.108 9.951 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.696 11.784 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.794 11.849 2.957 1.00 0.00 H new ATOM 0 HE ARG A 10 0.958 12.070 0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.282 13.908 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.487 15.452 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.973 14.064 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.353 15.542 0.976 1.00 0.00 H new ATOM 147 N THR A 11 1.067 7.151 2.438 1.00 0.00 N ATOM 148 CA THR A 11 2.140 6.638 3.208 1.00 0.00 C ATOM 149 C THR A 11 2.671 7.676 4.193 1.00 0.00 C ATOM 150 O THR A 11 2.866 8.854 3.852 1.00 0.00 O ATOM 151 CB THR A 11 3.228 6.139 2.268 1.00 0.00 C ATOM 152 OG1 THR A 11 3.608 7.201 1.378 1.00 0.00 O ATOM 153 CG2 THR A 11 2.677 4.997 1.442 1.00 0.00 C ATOM 0 H THR A 11 1.327 7.423 1.490 1.00 0.00 H new ATOM 0 HA THR A 11 1.783 5.803 3.811 1.00 0.00 H new ATOM 0 HB THR A 11 4.090 5.808 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.487 7.005 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.449 4.632 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.362 4.189 2.102 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.822 5.346 0.863 1.00 0.00 H new ATOM 161 N LEU A 12 2.872 7.253 5.410 1.00 0.00 N ATOM 162 CA LEU A 12 3.350 8.133 6.458 1.00 0.00 C ATOM 163 C LEU A 12 4.835 7.923 6.656 1.00 0.00 C ATOM 164 O LEU A 12 5.506 8.657 7.400 1.00 0.00 O ATOM 165 CB LEU A 12 2.592 7.853 7.755 1.00 0.00 C ATOM 166 CG LEU A 12 1.071 8.010 7.680 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.434 7.688 9.016 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.695 9.412 7.231 1.00 0.00 C ATOM 0 H LEU A 12 2.712 6.292 5.710 1.00 0.00 H new ATOM 0 HA LEU A 12 3.176 9.170 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.819 6.836 8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.971 8.522 8.528 1.00 0.00 H new ATOM 0 HG LEU A 12 0.693 7.304 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.647 7.806 8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.669 6.660 9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.821 8.366 9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.390 9.500 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.089 10.139 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.117 9.603 6.244 1.00 0.00 H new ATOM 180 N PHE A 13 5.338 6.913 5.985 1.00 0.00 N ATOM 181 CA PHE A 13 6.726 6.527 6.025 1.00 0.00 C ATOM 182 C PHE A 13 7.054 5.982 4.663 1.00 0.00 C ATOM 183 O PHE A 13 6.136 5.599 3.931 1.00 0.00 O ATOM 184 CB PHE A 13 6.958 5.388 7.054 1.00 0.00 C ATOM 185 CG PHE A 13 6.493 5.654 8.459 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.331 6.242 9.382 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.210 5.301 8.852 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.901 6.481 10.668 1.00 0.00 C ATOM 189 CE2 PHE A 13 4.774 5.536 10.134 1.00 0.00 C ATOM 190 CZ PHE A 13 5.620 6.127 11.045 1.00 0.00 C ATOM 0 H PHE A 13 4.773 6.320 5.377 1.00 0.00 H new ATOM 0 HA PHE A 13 7.341 7.382 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.455 4.492 6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.025 5.165 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.335 6.518 9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.545 4.835 8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.565 6.945 11.382 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.772 5.258 10.425 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.283 6.314 12.054 1.00 0.00 H new ATOM 200 N PRO A 14 8.318 6.004 4.264 1.00 0.00 N ATOM 201 CA PRO A 14 8.748 5.330 3.071 1.00 0.00 C ATOM 202 C PRO A 14 9.056 3.871 3.407 1.00 0.00 C ATOM 203 O PRO A 14 9.336 3.535 4.574 1.00 0.00 O ATOM 204 CB PRO A 14 10.025 6.073 2.683 1.00 0.00 C ATOM 205 CG PRO A 14 10.596 6.542 3.977 1.00 0.00 C ATOM 206 CD PRO A 14 9.434 6.715 4.929 1.00 0.00 C ATOM 0 HA PRO A 14 8.007 5.329 2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.720 5.418 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.810 6.910 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.312 5.819 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.131 7.482 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.653 6.288 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.200 7.768 5.086 1.00 0.00 H new ATOM 214 N TYR A 15 8.983 3.018 2.438 1.00 0.00 N ATOM 215 CA TYR A 15 9.252 1.629 2.662 1.00 0.00 C ATOM 216 C TYR A 15 9.829 1.039 1.409 1.00 0.00 C ATOM 217 O TYR A 15 9.297 1.242 0.314 1.00 0.00 O ATOM 218 CB TYR A 15 7.981 0.889 3.089 1.00 0.00 C ATOM 219 CG TYR A 15 8.187 -0.562 3.421 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.739 -0.938 4.635 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.839 -1.556 2.522 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.939 -2.262 4.943 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.039 -2.879 2.822 1.00 0.00 C ATOM 224 CZ TYR A 15 8.588 -3.228 4.033 1.00 0.00 C ATOM 225 OH TYR A 15 8.796 -4.558 4.329 1.00 0.00 O ATOM 0 H TYR A 15 8.738 3.257 1.477 1.00 0.00 H new ATOM 0 HA TYR A 15 9.972 1.523 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.558 1.391 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.245 0.965 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.016 -0.178 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.404 -1.285 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.369 -2.541 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.766 -3.644 2.110 1.00 0.00 H new ATOM 0 HH TYR A 15 9.466 -4.929 3.717 1.00 0.00 H new ATOM 235 N THR A 16 10.919 0.364 1.558 1.00 0.00 N ATOM 236 CA THR A 16 11.590 -0.228 0.457 1.00 0.00 C ATOM 237 C THR A 16 11.582 -1.746 0.595 1.00 0.00 C ATOM 238 O THR A 16 11.962 -2.282 1.638 1.00 0.00 O ATOM 239 CB THR A 16 13.041 0.304 0.390 1.00 0.00 C ATOM 240 OG1 THR A 16 13.010 1.748 0.482 1.00 0.00 O ATOM 241 CG2 THR A 16 13.724 -0.100 -0.912 1.00 0.00 C ATOM 0 H THR A 16 11.372 0.208 2.459 1.00 0.00 H new ATOM 0 HA THR A 16 11.074 0.035 -0.466 1.00 0.00 H new ATOM 0 HB THR A 16 13.607 -0.126 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.925 2.098 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.742 0.290 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.751 -1.187 -0.986 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.168 0.308 -1.756 1.00 0.00 H new ATOM 249 N GLY A 17 11.102 -2.417 -0.428 1.00 0.00 N ATOM 250 CA GLY A 17 11.139 -3.848 -0.452 1.00 0.00 C ATOM 251 C GLY A 17 12.459 -4.286 -1.018 1.00 0.00 C ATOM 252 O GLY A 17 13.052 -3.556 -1.819 1.00 0.00 O ATOM 0 H GLY A 17 10.682 -1.987 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.008 -4.246 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.320 -4.237 -1.058 1.00 0.00 H new ATOM 256 N THR A 18 12.943 -5.443 -0.639 1.00 0.00 N ATOM 257 CA THR A 18 14.215 -5.896 -1.159 1.00 0.00 C ATOM 258 C THR A 18 13.946 -6.793 -2.370 1.00 0.00 C ATOM 259 O THR A 18 14.852 -7.301 -3.036 1.00 0.00 O ATOM 260 CB THR A 18 15.064 -6.635 -0.064 1.00 0.00 C ATOM 261 OG1 THR A 18 16.406 -6.831 -0.523 1.00 0.00 O ATOM 262 CG2 THR A 18 14.460 -7.987 0.293 1.00 0.00 C ATOM 0 H THR A 18 12.488 -6.080 0.015 1.00 0.00 H new ATOM 0 HA THR A 18 14.810 -5.036 -1.466 1.00 0.00 H new ATOM 0 HB THR A 18 15.064 -6.006 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 18 16.394 -7.097 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.073 -8.470 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.450 -7.844 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.423 -8.616 -0.597 1.00 0.00 H new ATOM 270 N ASN A 19 12.683 -6.918 -2.671 1.00 0.00 N ATOM 271 CA ASN A 19 12.192 -7.715 -3.751 1.00 0.00 C ATOM 272 C ASN A 19 11.039 -6.953 -4.365 1.00 0.00 C ATOM 273 O ASN A 19 10.532 -6.028 -3.736 1.00 0.00 O ATOM 274 CB ASN A 19 11.739 -9.097 -3.250 1.00 0.00 C ATOM 275 CG ASN A 19 10.567 -9.059 -2.290 1.00 0.00 C ATOM 276 OD1 ASN A 19 9.418 -9.097 -2.704 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.841 -9.026 -1.014 1.00 0.00 N ATOM 0 H ASN A 19 11.943 -6.448 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 19 12.973 -7.894 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.470 -9.712 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.580 -9.586 -2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.085 -9.032 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.811 -8.995 -0.701 1.00 0.00 H new ATOM 284 N GLU A 20 10.617 -7.335 -5.549 1.00 0.00 N ATOM 285 CA GLU A 20 9.589 -6.594 -6.283 1.00 0.00 C ATOM 286 C GLU A 20 8.171 -7.044 -5.924 1.00 0.00 C ATOM 287 O GLU A 20 7.188 -6.442 -6.365 1.00 0.00 O ATOM 288 CB GLU A 20 9.823 -6.718 -7.786 1.00 0.00 C ATOM 289 CG GLU A 20 11.188 -6.220 -8.226 1.00 0.00 C ATOM 290 CD GLU A 20 11.404 -6.356 -9.701 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.807 -7.440 -10.156 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.188 -5.382 -10.445 1.00 0.00 O ATOM 0 H GLU A 20 10.967 -8.160 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 20 9.674 -5.548 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.714 -7.762 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.052 -6.157 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.297 -5.173 -7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.961 -6.777 -7.697 1.00 0.00 H new ATOM 299 N ASP A 21 8.065 -8.096 -5.137 1.00 0.00 N ATOM 300 CA ASP A 21 6.755 -8.593 -4.693 1.00 0.00 C ATOM 301 C ASP A 21 6.300 -7.787 -3.482 1.00 0.00 C ATOM 302 O ASP A 21 5.108 -7.656 -3.190 1.00 0.00 O ATOM 303 CB ASP A 21 6.829 -10.098 -4.382 1.00 0.00 C ATOM 304 CG ASP A 21 5.520 -10.699 -3.913 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.615 -10.930 -4.754 1.00 0.00 O ATOM 306 OD2 ASP A 21 5.384 -10.992 -2.709 1.00 0.00 O ATOM 0 H ASP A 21 8.861 -8.629 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 21 6.021 -8.466 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.159 -10.627 -5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.587 -10.263 -3.616 1.00 0.00 H new ATOM 311 N GLU A 22 7.269 -7.235 -2.805 1.00 0.00 N ATOM 312 CA GLU A 22 7.045 -6.360 -1.706 1.00 0.00 C ATOM 313 C GLU A 22 7.082 -4.960 -2.303 1.00 0.00 C ATOM 314 O GLU A 22 7.992 -4.639 -3.078 1.00 0.00 O ATOM 315 CB GLU A 22 8.151 -6.580 -0.676 1.00 0.00 C ATOM 316 CG GLU A 22 7.915 -5.931 0.660 1.00 0.00 C ATOM 317 CD GLU A 22 8.966 -6.319 1.665 1.00 0.00 C ATOM 318 OE1 GLU A 22 8.993 -7.494 2.098 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.793 -5.477 2.042 1.00 0.00 O ATOM 0 H GLU A 22 8.256 -7.390 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 22 6.098 -6.528 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.278 -7.652 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.088 -6.203 -1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.908 -4.848 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.932 -6.217 1.034 1.00 0.00 H new ATOM 326 N LEU A 23 6.111 -4.150 -1.996 1.00 0.00 N ATOM 327 CA LEU A 23 5.968 -2.896 -2.690 1.00 0.00 C ATOM 328 C LEU A 23 6.786 -1.775 -2.048 1.00 0.00 C ATOM 329 O LEU A 23 6.728 -1.534 -0.841 1.00 0.00 O ATOM 330 CB LEU A 23 4.464 -2.557 -2.889 1.00 0.00 C ATOM 331 CG LEU A 23 4.081 -1.410 -3.863 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.264 -0.037 -3.242 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.876 -1.512 -5.163 1.00 0.00 C ATOM 0 H LEU A 23 5.410 -4.329 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 23 6.397 -3.000 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.964 -3.463 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.048 -2.313 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 23 3.020 -1.528 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.983 0.729 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.633 0.049 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.308 0.098 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.590 -0.698 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.942 -1.445 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.664 -2.466 -5.645 1.00 0.00 H new ATOM 345 N THR A 24 7.541 -1.114 -2.886 1.00 0.00 N ATOM 346 CA THR A 24 8.412 -0.030 -2.509 1.00 0.00 C ATOM 347 C THR A 24 7.723 1.315 -2.762 1.00 0.00 C ATOM 348 O THR A 24 7.314 1.624 -3.898 1.00 0.00 O ATOM 349 CB THR A 24 9.719 -0.117 -3.337 1.00 0.00 C ATOM 350 OG1 THR A 24 10.363 -1.382 -3.086 1.00 0.00 O ATOM 351 CG2 THR A 24 10.679 1.039 -3.036 1.00 0.00 C ATOM 0 H THR A 24 7.568 -1.322 -3.884 1.00 0.00 H new ATOM 0 HA THR A 24 8.645 -0.107 -1.447 1.00 0.00 H new ATOM 0 HB THR A 24 9.451 -0.039 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.189 -1.438 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.579 0.932 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.194 1.986 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.948 1.023 -1.980 1.00 0.00 H new ATOM 359 N PHE A 25 7.579 2.097 -1.723 1.00 0.00 N ATOM 360 CA PHE A 25 6.962 3.390 -1.827 1.00 0.00 C ATOM 361 C PHE A 25 7.756 4.463 -1.106 1.00 0.00 C ATOM 362 O PHE A 25 8.589 4.165 -0.225 1.00 0.00 O ATOM 363 CB PHE A 25 5.503 3.364 -1.344 1.00 0.00 C ATOM 364 CG PHE A 25 5.265 2.807 0.040 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.648 3.501 1.176 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.623 1.601 0.197 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.395 2.994 2.433 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.365 1.096 1.445 1.00 0.00 C ATOM 369 CZ PHE A 25 4.748 1.789 2.566 1.00 0.00 C ATOM 0 H PHE A 25 7.887 1.853 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 25 6.957 3.648 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.115 4.382 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.918 2.778 -2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.151 4.451 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.318 1.043 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.704 3.542 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.858 0.148 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.542 1.389 3.548 1.00 0.00 H new ATOM 379 N ARG A 26 7.501 5.693 -1.483 1.00 0.00 N ATOM 380 CA ARG A 26 8.084 6.851 -0.837 1.00 0.00 C ATOM 381 C ARG A 26 7.101 7.336 0.221 1.00 0.00 C ATOM 382 O ARG A 26 5.971 6.842 0.280 1.00 0.00 O ATOM 383 CB ARG A 26 8.343 7.981 -1.854 1.00 0.00 C ATOM 384 CG ARG A 26 7.086 8.496 -2.542 1.00 0.00 C ATOM 385 CD ARG A 26 7.370 9.698 -3.425 1.00 0.00 C ATOM 386 NE ARG A 26 6.152 10.167 -4.097 1.00 0.00 N ATOM 387 CZ ARG A 26 5.811 11.440 -4.329 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.574 12.442 -3.899 1.00 0.00 N ATOM 389 NH2 ARG A 26 4.683 11.686 -4.982 1.00 0.00 N ATOM 0 H ARG A 26 6.876 5.924 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 26 9.040 6.578 -0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.831 8.811 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.038 7.621 -2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.651 7.699 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.346 8.767 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.788 10.504 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.121 9.435 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 26 5.501 9.451 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.432 12.245 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.300 13.407 -4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.096 10.913 -5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.402 12.648 -5.170 1.00 0.00 H new ATOM 403 N GLU A 27 7.512 8.267 1.036 1.00 0.00 N ATOM 404 CA GLU A 27 6.663 8.830 2.045 1.00 0.00 C ATOM 405 C GLU A 27 5.752 9.890 1.404 1.00 0.00 C ATOM 406 O GLU A 27 6.148 10.551 0.440 1.00 0.00 O ATOM 407 CB GLU A 27 7.534 9.486 3.099 1.00 0.00 C ATOM 408 CG GLU A 27 6.799 9.895 4.345 1.00 0.00 C ATOM 409 CD GLU A 27 7.653 10.709 5.262 1.00 0.00 C ATOM 410 OE1 GLU A 27 8.703 10.219 5.711 1.00 0.00 O ATOM 411 OE2 GLU A 27 7.284 11.857 5.567 1.00 0.00 O ATOM 0 H GLU A 27 8.454 8.659 1.017 1.00 0.00 H new ATOM 0 HA GLU A 27 6.050 8.051 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.333 8.797 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.007 10.367 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.914 10.469 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.452 9.004 4.869 1.00 0.00 H new ATOM 418 N GLY A 28 4.533 10.002 1.901 1.00 0.00 N ATOM 419 CA GLY A 28 3.624 11.028 1.443 1.00 0.00 C ATOM 420 C GLY A 28 2.960 10.693 0.133 1.00 0.00 C ATOM 421 O GLY A 28 2.342 11.558 -0.497 1.00 0.00 O ATOM 0 H GLY A 28 4.152 9.391 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.857 11.189 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.169 11.966 1.337 1.00 0.00 H new ATOM 425 N GLU A 29 3.011 9.452 -0.248 1.00 0.00 N ATOM 426 CA GLU A 29 2.491 9.040 -1.518 1.00 0.00 C ATOM 427 C GLU A 29 1.101 8.470 -1.367 1.00 0.00 C ATOM 428 O GLU A 29 0.773 7.871 -0.345 1.00 0.00 O ATOM 429 CB GLU A 29 3.412 8.011 -2.163 1.00 0.00 C ATOM 430 CG GLU A 29 2.998 7.608 -3.564 1.00 0.00 C ATOM 431 CD GLU A 29 2.909 8.785 -4.489 1.00 0.00 C ATOM 432 OE1 GLU A 29 1.867 9.468 -4.520 1.00 0.00 O ATOM 433 OE2 GLU A 29 3.882 9.066 -5.182 1.00 0.00 O ATOM 0 H GLU A 29 3.413 8.699 0.310 1.00 0.00 H new ATOM 0 HA GLU A 29 2.438 9.917 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.424 8.414 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.443 7.121 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.716 6.890 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.032 7.105 -3.525 1.00 0.00 H new ATOM 440 N ILE A 30 0.311 8.658 -2.379 1.00 0.00 N ATOM 441 CA ILE A 30 -1.027 8.159 -2.435 1.00 0.00 C ATOM 442 C ILE A 30 -0.990 6.861 -3.206 1.00 0.00 C ATOM 443 O ILE A 30 -0.543 6.822 -4.344 1.00 0.00 O ATOM 444 CB ILE A 30 -1.977 9.150 -3.165 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.026 10.505 -2.439 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.386 8.560 -3.307 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.688 10.467 -1.077 1.00 0.00 C ATOM 0 H ILE A 30 0.588 9.178 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.404 8.022 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.577 9.316 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.008 10.877 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.558 11.220 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.029 9.274 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.337 7.636 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.794 8.350 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.677 11.465 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.719 10.128 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.145 9.780 -0.428 1.00 0.00 H new ATOM 459 N ILE A 31 -1.412 5.824 -2.595 1.00 0.00 N ATOM 460 CA ILE A 31 -1.435 4.534 -3.221 1.00 0.00 C ATOM 461 C ILE A 31 -2.876 4.106 -3.386 1.00 0.00 C ATOM 462 O ILE A 31 -3.707 4.369 -2.504 1.00 0.00 O ATOM 463 CB ILE A 31 -0.654 3.481 -2.369 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.803 3.922 -2.182 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.712 2.092 -3.006 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.638 2.962 -1.363 1.00 0.00 C ATOM 0 H ILE A 31 -1.758 5.831 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.947 4.597 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.134 3.420 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.264 4.042 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.817 4.900 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.159 1.385 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.751 1.771 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.268 2.129 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.655 3.346 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.204 2.859 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.658 1.988 -1.852 1.00 0.00 H new ATOM 478 N HIS A 32 -3.180 3.487 -4.501 1.00 0.00 N ATOM 479 CA HIS A 32 -4.503 2.979 -4.746 1.00 0.00 C ATOM 480 C HIS A 32 -4.538 1.566 -4.209 1.00 0.00 C ATOM 481 O HIS A 32 -3.721 0.724 -4.597 1.00 0.00 O ATOM 482 CB HIS A 32 -4.827 3.023 -6.254 1.00 0.00 C ATOM 483 CG HIS A 32 -6.179 2.470 -6.629 1.00 0.00 C ATOM 484 ND1 HIS A 32 -6.369 1.537 -7.620 1.00 0.00 N ATOM 485 CD2 HIS A 32 -7.417 2.753 -6.141 1.00 0.00 C ATOM 486 CE1 HIS A 32 -7.677 1.282 -7.706 1.00 0.00 C ATOM 487 NE2 HIS A 32 -8.364 1.995 -6.828 1.00 0.00 N ATOM 0 H HIS A 32 -2.518 3.323 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.259 3.587 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.766 4.057 -6.594 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.060 2.465 -6.792 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -5.638 1.113 -8.191 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.632 3.453 -5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.117 0.584 -8.402 1.00 0.00 H new ATOM 495 N LEU A 33 -5.436 1.332 -3.303 1.00 0.00 N ATOM 496 CA LEU A 33 -5.526 0.081 -2.602 1.00 0.00 C ATOM 497 C LEU A 33 -6.219 -0.940 -3.502 1.00 0.00 C ATOM 498 O LEU A 33 -7.232 -0.641 -4.138 1.00 0.00 O ATOM 499 CB LEU A 33 -6.313 0.323 -1.301 1.00 0.00 C ATOM 500 CG LEU A 33 -6.195 -0.686 -0.138 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.842 -0.095 1.094 1.00 0.00 C ATOM 502 CD2 LEU A 33 -6.877 -1.993 -0.456 1.00 0.00 C ATOM 0 H LEU A 33 -6.141 2.014 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.541 -0.311 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.016 1.299 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.368 0.393 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.136 -0.883 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.763 -0.801 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.337 0.833 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.893 0.109 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.770 -2.674 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.935 -1.814 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.419 -2.437 -1.340 1.00 0.00 H new ATOM 514 N ILE A 34 -5.650 -2.115 -3.585 1.00 0.00 N ATOM 515 CA ILE A 34 -6.222 -3.169 -4.379 1.00 0.00 C ATOM 516 C ILE A 34 -6.839 -4.229 -3.480 1.00 0.00 C ATOM 517 O ILE A 34 -7.945 -4.711 -3.730 1.00 0.00 O ATOM 518 CB ILE A 34 -5.184 -3.825 -5.353 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.660 -2.789 -6.365 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.785 -5.039 -6.084 1.00 0.00 C ATOM 521 CD1 ILE A 34 -3.749 -3.370 -7.428 1.00 0.00 C ATOM 0 H ILE A 34 -4.784 -2.366 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.997 -2.716 -4.997 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.346 -4.181 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.510 -2.310 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.121 -2.010 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.038 -5.469 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.093 -5.787 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.650 -4.722 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.423 -2.577 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.879 -3.823 -6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.289 -4.128 -7.995 1.00 0.00 H new ATOM 533 N SER A 35 -6.139 -4.600 -2.431 1.00 0.00 N ATOM 534 CA SER A 35 -6.621 -5.638 -1.547 1.00 0.00 C ATOM 535 C SER A 35 -6.132 -5.437 -0.116 1.00 0.00 C ATOM 536 O SER A 35 -4.950 -5.179 0.117 1.00 0.00 O ATOM 537 CB SER A 35 -6.183 -7.015 -2.074 1.00 0.00 C ATOM 538 OG SER A 35 -6.704 -7.232 -3.384 1.00 0.00 O ATOM 0 H SER A 35 -5.238 -4.200 -2.170 1.00 0.00 H new ATOM 0 HA SER A 35 -7.710 -5.585 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.095 -7.075 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.534 -7.798 -1.401 1.00 0.00 H new ATOM 0 HG SER A 35 -6.417 -8.111 -3.709 1.00 0.00 H new ATOM 544 N LYS A 36 -7.056 -5.509 0.823 1.00 0.00 N ATOM 545 CA LYS A 36 -6.727 -5.469 2.240 1.00 0.00 C ATOM 546 C LYS A 36 -6.454 -6.887 2.713 1.00 0.00 C ATOM 547 O LYS A 36 -5.742 -7.114 3.698 1.00 0.00 O ATOM 548 CB LYS A 36 -7.854 -4.829 3.077 1.00 0.00 C ATOM 549 CG LYS A 36 -7.982 -3.314 2.930 1.00 0.00 C ATOM 550 CD LYS A 36 -9.117 -2.753 3.782 1.00 0.00 C ATOM 551 CE LYS A 36 -9.169 -1.231 3.690 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.224 -0.629 4.540 1.00 0.00 N ATOM 0 H LYS A 36 -8.053 -5.597 0.629 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.842 -4.847 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.802 -5.288 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.685 -5.065 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.043 -2.841 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.156 -3.064 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.067 -3.174 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.980 -3.054 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.201 -0.823 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.339 -0.942 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.997 0.370 4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.141 -0.694 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.275 -1.140 5.444 1.00 0.00 H new ATOM 566 N GLU A 37 -7.015 -7.842 1.985 1.00 0.00 N ATOM 567 CA GLU A 37 -6.804 -9.231 2.261 1.00 0.00 C ATOM 568 C GLU A 37 -5.725 -9.771 1.347 1.00 0.00 C ATOM 569 O GLU A 37 -5.922 -9.888 0.131 1.00 0.00 O ATOM 570 CB GLU A 37 -8.072 -10.088 2.079 1.00 0.00 C ATOM 571 CG GLU A 37 -9.218 -9.833 3.047 1.00 0.00 C ATOM 572 CD GLU A 37 -9.970 -8.553 2.806 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.583 -8.408 1.728 1.00 0.00 O ATOM 574 OE2 GLU A 37 -9.992 -7.691 3.701 1.00 0.00 O ATOM 0 H GLU A 37 -7.627 -7.662 1.189 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.509 -9.297 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.443 -9.935 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.787 -11.137 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.918 -10.666 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.822 -9.820 4.062 1.00 0.00 H new ATOM 581 N THR A 38 -4.596 -10.062 1.903 1.00 0.00 N ATOM 582 CA THR A 38 -3.508 -10.634 1.149 1.00 0.00 C ATOM 583 C THR A 38 -3.267 -12.072 1.586 1.00 0.00 C ATOM 584 O THR A 38 -2.469 -12.802 1.000 1.00 0.00 O ATOM 585 CB THR A 38 -2.236 -9.808 1.348 1.00 0.00 C ATOM 586 OG1 THR A 38 -2.029 -9.599 2.759 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.346 -8.466 0.632 1.00 0.00 C ATOM 0 H THR A 38 -4.392 -9.914 2.891 1.00 0.00 H new ATOM 0 HA THR A 38 -3.773 -10.625 0.092 1.00 0.00 H new ATOM 0 HB THR A 38 -1.389 -10.348 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.256 -8.674 2.989 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.431 -7.895 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.493 -8.634 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.193 -7.909 1.032 1.00 0.00 H new ATOM 595 N GLY A 39 -3.985 -12.465 2.607 1.00 0.00 N ATOM 596 CA GLY A 39 -3.820 -13.774 3.192 1.00 0.00 C ATOM 597 C GLY A 39 -3.189 -13.647 4.556 1.00 0.00 C ATOM 598 O GLY A 39 -3.236 -14.564 5.376 1.00 0.00 O ATOM 0 H GLY A 39 -4.698 -11.890 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.787 -14.271 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.196 -14.394 2.549 1.00 0.00 H new ATOM 602 N GLU A 40 -2.604 -12.491 4.792 1.00 0.00 N ATOM 603 CA GLU A 40 -1.969 -12.171 6.046 1.00 0.00 C ATOM 604 C GLU A 40 -2.506 -10.849 6.545 1.00 0.00 C ATOM 605 O GLU A 40 -2.542 -9.860 5.797 1.00 0.00 O ATOM 606 CB GLU A 40 -0.465 -12.057 5.867 1.00 0.00 C ATOM 607 CG GLU A 40 0.216 -13.328 5.423 1.00 0.00 C ATOM 608 CD GLU A 40 1.681 -13.123 5.210 1.00 0.00 C ATOM 609 OE1 GLU A 40 2.426 -13.045 6.203 1.00 0.00 O ATOM 610 OE2 GLU A 40 2.118 -13.038 4.047 1.00 0.00 O ATOM 0 H GLU A 40 -2.558 -11.738 4.105 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.181 -12.964 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.258 -11.276 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.024 -11.735 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.062 -14.105 6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.240 -13.682 4.499 1.00 0.00 H new ATOM 617 N ALA A 41 -2.941 -10.818 7.768 1.00 0.00 N ATOM 618 CA ALA A 41 -3.461 -9.610 8.349 1.00 0.00 C ATOM 619 C ALA A 41 -2.310 -8.704 8.729 1.00 0.00 C ATOM 620 O ALA A 41 -1.480 -9.053 9.584 1.00 0.00 O ATOM 621 CB ALA A 41 -4.329 -9.925 9.549 1.00 0.00 C ATOM 0 H ALA A 41 -2.947 -11.624 8.392 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.087 -9.097 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.713 -8.998 9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.163 -10.555 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.737 -10.450 10.299 1.00 0.00 H new ATOM 627 N GLY A 42 -2.236 -7.577 8.076 1.00 0.00 N ATOM 628 CA GLY A 42 -1.172 -6.641 8.322 1.00 0.00 C ATOM 629 C GLY A 42 -0.488 -6.258 7.041 1.00 0.00 C ATOM 630 O GLY A 42 0.262 -5.282 6.982 1.00 0.00 O ATOM 0 H GLY A 42 -2.905 -7.282 7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.571 -5.750 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.448 -7.080 9.008 1.00 0.00 H new ATOM 634 N TRP A 43 -0.729 -7.035 6.016 1.00 0.00 N ATOM 635 CA TRP A 43 -0.169 -6.765 4.727 1.00 0.00 C ATOM 636 C TRP A 43 -1.259 -6.333 3.781 1.00 0.00 C ATOM 637 O TRP A 43 -2.261 -7.038 3.607 1.00 0.00 O ATOM 638 CB TRP A 43 0.574 -7.984 4.170 1.00 0.00 C ATOM 639 CG TRP A 43 1.796 -8.367 4.956 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.862 -9.243 5.997 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.133 -7.885 4.750 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.150 -9.327 6.458 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.951 -8.509 5.703 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.713 -6.989 3.852 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.324 -8.264 5.782 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.071 -6.748 3.930 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.862 -7.383 4.889 1.00 0.00 C ATOM 0 H TRP A 43 -1.317 -7.868 6.056 1.00 0.00 H new ATOM 0 HA TRP A 43 0.558 -5.960 4.832 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.110 -8.833 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.867 -7.779 3.140 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.023 -9.791 6.400 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.463 -9.905 7.238 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.110 -6.491 3.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.938 -8.754 6.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.528 -6.057 3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.921 -7.173 4.925 1.00 0.00 H new ATOM 658 N TRP A 44 -1.080 -5.187 3.205 1.00 0.00 N ATOM 659 CA TRP A 44 -2.002 -4.644 2.243 1.00 0.00 C ATOM 660 C TRP A 44 -1.394 -4.685 0.883 1.00 0.00 C ATOM 661 O TRP A 44 -0.169 -4.720 0.743 1.00 0.00 O ATOM 662 CB TRP A 44 -2.353 -3.192 2.568 1.00 0.00 C ATOM 663 CG TRP A 44 -3.431 -3.008 3.580 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.992 -3.957 4.378 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.098 -1.782 3.887 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.971 -3.397 5.147 1.00 0.00 N ATOM 667 CE2 TRP A 44 -5.054 -2.064 4.871 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.976 -0.469 3.421 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.888 -1.089 5.399 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.808 0.500 3.945 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.753 0.183 4.926 1.00 0.00 C ATOM 0 H TRP A 44 -0.276 -4.587 3.389 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.909 -5.247 2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.454 -2.689 2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.654 -2.693 1.647 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.705 -4.998 4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.550 -3.897 5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.245 -0.218 2.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.618 -1.329 6.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.728 1.518 3.592 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.390 0.963 5.318 1.00 0.00 H new ATOM 682 N LYS A 45 -2.236 -4.705 -0.112 1.00 0.00 N ATOM 683 CA LYS A 45 -1.799 -4.615 -1.460 1.00 0.00 C ATOM 684 C LYS A 45 -2.351 -3.365 -2.087 1.00 0.00 C ATOM 685 O LYS A 45 -3.567 -3.105 -2.041 1.00 0.00 O ATOM 686 CB LYS A 45 -2.199 -5.839 -2.303 1.00 0.00 C ATOM 687 CG LYS A 45 -1.848 -5.661 -3.789 1.00 0.00 C ATOM 688 CD LYS A 45 -2.108 -6.887 -4.630 1.00 0.00 C ATOM 689 CE LYS A 45 -1.156 -8.011 -4.284 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.281 -9.126 -5.232 1.00 0.00 N ATOM 0 H LYS A 45 -3.247 -4.785 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.710 -4.583 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.695 -6.725 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.270 -6.012 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.424 -4.828 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.795 -5.391 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.135 -7.220 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.005 -6.634 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.132 -7.638 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.360 -8.365 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.789 -9.960 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.287 -9.351 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.856 -8.857 -6.142 1.00 0.00 H new ATOM 704 N GLY A 46 -1.480 -2.629 -2.683 1.00 0.00 N ATOM 705 CA GLY A 46 -1.829 -1.443 -3.373 1.00 0.00 C ATOM 706 C GLY A 46 -0.977 -1.344 -4.586 1.00 0.00 C ATOM 707 O GLY A 46 -0.007 -2.113 -4.711 1.00 0.00 O ATOM 0 H GLY A 46 -0.483 -2.842 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.883 -1.460 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.681 -0.573 -2.733 1.00 0.00 H new ATOM 711 N GLU A 47 -1.306 -0.455 -5.468 1.00 0.00 N ATOM 712 CA GLU A 47 -0.559 -0.311 -6.674 1.00 0.00 C ATOM 713 C GLU A 47 0.108 1.037 -6.719 1.00 0.00 C ATOM 714 O GLU A 47 -0.520 2.072 -6.448 1.00 0.00 O ATOM 715 CB GLU A 47 -1.458 -0.574 -7.894 1.00 0.00 C ATOM 716 CG GLU A 47 -0.754 -0.652 -9.263 1.00 0.00 C ATOM 717 CD GLU A 47 -0.468 0.697 -9.912 1.00 0.00 C ATOM 718 OE1 GLU A 47 -1.414 1.309 -10.472 1.00 0.00 O ATOM 719 OE2 GLU A 47 0.690 1.163 -9.896 1.00 0.00 O ATOM 0 H GLU A 47 -2.094 0.186 -5.373 1.00 0.00 H new ATOM 0 HA GLU A 47 0.236 -1.057 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.990 -1.511 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.209 0.215 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.187 -1.188 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.372 -1.242 -9.940 1.00 0.00 H new ATOM 726 N LEU A 48 1.376 1.002 -7.000 1.00 0.00 N ATOM 727 CA LEU A 48 2.186 2.166 -7.159 1.00 0.00 C ATOM 728 C LEU A 48 3.373 1.778 -8.015 1.00 0.00 C ATOM 729 O LEU A 48 3.906 0.676 -7.863 1.00 0.00 O ATOM 730 CB LEU A 48 2.665 2.702 -5.805 1.00 0.00 C ATOM 731 CG LEU A 48 3.500 3.987 -5.852 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.679 5.163 -6.364 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.094 4.286 -4.494 1.00 0.00 C ATOM 0 H LEU A 48 1.890 0.130 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 48 1.605 2.959 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.792 2.882 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.254 1.926 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 48 4.319 3.831 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.300 6.059 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.321 4.946 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.828 5.327 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.683 5.202 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.293 4.413 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.735 3.460 -4.187 1.00 0.00 H new ATOM 745 N ASN A 49 3.748 2.655 -8.940 1.00 0.00 N ATOM 746 CA ASN A 49 4.901 2.468 -9.869 1.00 0.00 C ATOM 747 C ASN A 49 4.578 1.436 -10.932 1.00 0.00 C ATOM 748 O ASN A 49 5.463 0.971 -11.652 1.00 0.00 O ATOM 749 CB ASN A 49 6.231 2.079 -9.155 1.00 0.00 C ATOM 750 CG ASN A 49 6.662 3.052 -8.082 1.00 0.00 C ATOM 751 OD1 ASN A 49 6.330 2.740 -6.853 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 7.333 4.061 -8.351 1.00 0.00 N flip ATOM 0 H ASN A 49 3.261 3.540 -9.083 1.00 0.00 H new ATOM 0 HA ASN A 49 5.061 3.443 -10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.116 1.091 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.022 2.003 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.572 4.271 -9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.645 4.680 -7.603 1.00 0.00 H new ATOM 759 N GLY A 50 3.320 1.080 -11.024 1.00 0.00 N ATOM 760 CA GLY A 50 2.873 0.134 -11.992 1.00 0.00 C ATOM 761 C GLY A 50 2.956 -1.242 -11.426 1.00 0.00 C ATOM 762 O GLY A 50 2.885 -2.234 -12.153 1.00 0.00 O ATOM 0 H GLY A 50 2.582 1.445 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.847 0.356 -12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.483 0.205 -12.892 1.00 0.00 H new ATOM 766 N LYS A 51 3.111 -1.319 -10.117 1.00 0.00 N ATOM 767 CA LYS A 51 3.298 -2.572 -9.459 1.00 0.00 C ATOM 768 C LYS A 51 2.299 -2.711 -8.393 1.00 0.00 C ATOM 769 O LYS A 51 1.847 -1.730 -7.822 1.00 0.00 O ATOM 770 CB LYS A 51 4.654 -2.649 -8.778 1.00 0.00 C ATOM 771 CG LYS A 51 5.803 -2.161 -9.594 1.00 0.00 C ATOM 772 CD LYS A 51 5.980 -2.915 -10.895 1.00 0.00 C ATOM 773 CE LYS A 51 6.422 -4.352 -10.662 1.00 0.00 C ATOM 774 NZ LYS A 51 6.825 -5.016 -11.907 1.00 0.00 N ATOM 0 H LYS A 51 3.109 -0.511 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 51 3.212 -3.350 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.613 -2.070 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.843 -3.685 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.660 -1.103 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.718 -2.245 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.041 -2.909 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.718 -2.404 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.255 -4.365 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.607 -4.911 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.118 -5.992 -11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.023 -5.028 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.620 -4.499 -12.335 1.00 0.00 H new ATOM 788 N GLU A 52 2.033 -3.901 -8.087 1.00 0.00 N ATOM 789 CA GLU A 52 1.154 -4.249 -7.042 1.00 0.00 C ATOM 790 C GLU A 52 1.830 -5.284 -6.188 1.00 0.00 C ATOM 791 O GLU A 52 2.372 -6.263 -6.689 1.00 0.00 O ATOM 792 CB GLU A 52 -0.291 -4.618 -7.534 1.00 0.00 C ATOM 793 CG GLU A 52 -0.435 -5.654 -8.678 1.00 0.00 C ATOM 794 CD GLU A 52 -0.047 -7.076 -8.316 1.00 0.00 C ATOM 795 OE1 GLU A 52 -0.758 -7.730 -7.516 1.00 0.00 O ATOM 796 OE2 GLU A 52 0.954 -7.582 -8.848 1.00 0.00 O ATOM 0 H GLU A 52 2.433 -4.705 -8.571 1.00 0.00 H new ATOM 0 HA GLU A 52 0.957 -3.379 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.850 -4.991 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.778 -3.697 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.470 -5.653 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.178 -5.330 -9.519 1.00 0.00 H new ATOM 803 N GLY A 53 1.899 -5.025 -4.939 1.00 0.00 N ATOM 804 CA GLY A 53 2.588 -5.908 -4.066 1.00 0.00 C ATOM 805 C GLY A 53 2.093 -5.744 -2.693 1.00 0.00 C ATOM 806 O GLY A 53 1.041 -5.135 -2.495 1.00 0.00 O ATOM 0 H GLY A 53 1.487 -4.207 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.447 -6.939 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.659 -5.706 -4.102 1.00 0.00 H new ATOM 810 N VAL A 54 2.842 -6.190 -1.746 1.00 0.00 N ATOM 811 CA VAL A 54 2.402 -6.132 -0.385 1.00 0.00 C ATOM 812 C VAL A 54 3.266 -5.206 0.414 1.00 0.00 C ATOM 813 O VAL A 54 4.456 -5.024 0.115 1.00 0.00 O ATOM 814 CB VAL A 54 2.358 -7.531 0.290 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.340 -8.417 -0.396 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.731 -8.200 0.284 1.00 0.00 C ATOM 0 H VAL A 54 3.765 -6.601 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 54 1.382 -5.748 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 54 2.061 -7.388 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.322 -9.393 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.353 -7.959 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.611 -8.538 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.662 -9.176 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.071 -8.324 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.441 -7.578 0.828 1.00 0.00 H new ATOM 826 N PHE A 55 2.655 -4.575 1.371 1.00 0.00 N ATOM 827 CA PHE A 55 3.318 -3.668 2.250 1.00 0.00 C ATOM 828 C PHE A 55 2.605 -3.684 3.596 1.00 0.00 C ATOM 829 O PHE A 55 1.427 -4.049 3.651 1.00 0.00 O ATOM 830 CB PHE A 55 3.348 -2.248 1.644 1.00 0.00 C ATOM 831 CG PHE A 55 1.995 -1.601 1.394 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.373 -0.841 2.378 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.363 -1.741 0.169 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.153 -0.241 2.142 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.143 -1.144 -0.069 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.464 -0.394 0.917 1.00 0.00 C ATOM 0 H PHE A 55 1.659 -4.681 1.564 1.00 0.00 H new ATOM 0 HA PHE A 55 4.353 -3.978 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.920 -1.602 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.889 -2.289 0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.851 -0.719 3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.832 -2.325 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.318 0.348 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.338 -1.264 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.420 0.072 0.731 1.00 0.00 H new ATOM 846 N PRO A 56 3.292 -3.341 4.697 1.00 0.00 N ATOM 847 CA PRO A 56 2.678 -3.317 6.017 1.00 0.00 C ATOM 848 C PRO A 56 1.708 -2.134 6.162 1.00 0.00 C ATOM 849 O PRO A 56 2.071 -0.967 5.917 1.00 0.00 O ATOM 850 CB PRO A 56 3.874 -3.181 6.983 1.00 0.00 C ATOM 851 CG PRO A 56 5.091 -3.385 6.141 1.00 0.00 C ATOM 852 CD PRO A 56 4.706 -2.957 4.761 1.00 0.00 C ATOM 0 HA PRO A 56 2.080 -4.207 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.885 -2.200 7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.820 -3.921 7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.928 -2.795 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.405 -4.429 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.843 -1.886 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.299 -3.462 3.998 1.00 0.00 H new ATOM 860 N ASP A 57 0.493 -2.442 6.588 1.00 0.00 N ATOM 861 CA ASP A 57 -0.611 -1.469 6.711 1.00 0.00 C ATOM 862 C ASP A 57 -0.307 -0.373 7.737 1.00 0.00 C ATOM 863 O ASP A 57 -0.901 0.698 7.701 1.00 0.00 O ATOM 864 CB ASP A 57 -1.935 -2.176 7.095 1.00 0.00 C ATOM 865 CG ASP A 57 -2.009 -2.601 8.557 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.144 -3.363 9.017 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.921 -2.139 9.279 1.00 0.00 O ATOM 0 H ASP A 57 0.230 -3.387 6.866 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.718 -1.000 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.768 -1.507 6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.061 -3.056 6.465 1.00 0.00 H new ATOM 872 N ASN A 58 0.638 -0.629 8.623 1.00 0.00 N ATOM 873 CA ASN A 58 1.002 0.324 9.689 1.00 0.00 C ATOM 874 C ASN A 58 1.852 1.492 9.174 1.00 0.00 C ATOM 875 O ASN A 58 2.169 2.417 9.934 1.00 0.00 O ATOM 876 CB ASN A 58 1.758 -0.378 10.839 1.00 0.00 C ATOM 877 CG ASN A 58 0.896 -1.216 11.789 1.00 0.00 C ATOM 878 OD1 ASN A 58 -0.198 -1.759 11.325 1.00 0.00 O flip ATOM 879 ND2 ASN A 58 1.244 -1.380 12.956 1.00 0.00 N flip ATOM 0 H ASN A 58 1.179 -1.493 8.636 1.00 0.00 H new ATOM 0 HA ASN A 58 0.059 0.725 10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.521 -1.024 10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.277 0.381 11.424 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.102 -0.947 13.298 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.675 -1.949 13.583 1.00 0.00 H new ATOM 886 N PHE A 59 2.227 1.454 7.906 1.00 0.00 N ATOM 887 CA PHE A 59 3.078 2.500 7.325 1.00 0.00 C ATOM 888 C PHE A 59 2.276 3.489 6.475 1.00 0.00 C ATOM 889 O PHE A 59 2.824 4.470 5.941 1.00 0.00 O ATOM 890 CB PHE A 59 4.226 1.877 6.503 1.00 0.00 C ATOM 891 CG PHE A 59 5.288 1.184 7.336 1.00 0.00 C ATOM 892 CD1 PHE A 59 4.985 0.070 8.098 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.591 1.653 7.343 1.00 0.00 C ATOM 894 CE1 PHE A 59 5.953 -0.561 8.853 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.564 1.026 8.096 1.00 0.00 C ATOM 896 CZ PHE A 59 7.244 -0.081 8.852 1.00 0.00 C ATOM 0 H PHE A 59 1.961 0.716 7.254 1.00 0.00 H new ATOM 0 HA PHE A 59 3.508 3.063 8.153 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.805 1.157 5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.699 2.660 5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.975 -0.312 8.102 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.849 2.520 6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.699 -1.429 9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.576 1.403 8.092 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.004 -0.571 9.442 1.00 0.00 H new ATOM 906 N ALA A 60 0.984 3.267 6.382 1.00 0.00 N ATOM 907 CA ALA A 60 0.127 4.103 5.570 1.00 0.00 C ATOM 908 C ALA A 60 -1.200 4.320 6.263 1.00 0.00 C ATOM 909 O ALA A 60 -1.600 3.516 7.098 1.00 0.00 O ATOM 910 CB ALA A 60 -0.088 3.465 4.198 1.00 0.00 C ATOM 0 H ALA A 60 0.500 2.508 6.863 1.00 0.00 H new ATOM 0 HA ALA A 60 0.610 5.070 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.735 4.104 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.873 3.347 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.556 2.488 4.320 1.00 0.00 H new ATOM 916 N VAL A 61 -1.865 5.395 5.934 1.00 0.00 N ATOM 917 CA VAL A 61 -3.163 5.700 6.501 1.00 0.00 C ATOM 918 C VAL A 61 -4.175 5.799 5.363 1.00 0.00 C ATOM 919 O VAL A 61 -3.852 6.320 4.285 1.00 0.00 O ATOM 920 CB VAL A 61 -3.131 7.019 7.356 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.789 8.246 6.519 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.437 7.227 8.117 1.00 0.00 C ATOM 0 H VAL A 61 -1.527 6.088 5.266 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.454 4.902 7.184 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.331 6.893 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.780 9.130 7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.806 8.115 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.536 8.371 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.378 8.148 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.263 7.296 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.604 6.386 8.789 1.00 0.00 H new ATOM 932 N GLN A 62 -5.356 5.273 5.564 1.00 0.00 N ATOM 933 CA GLN A 62 -6.357 5.278 4.540 1.00 0.00 C ATOM 934 C GLN A 62 -7.065 6.637 4.448 1.00 0.00 C ATOM 935 O GLN A 62 -7.634 7.134 5.415 1.00 0.00 O ATOM 936 CB GLN A 62 -7.320 4.098 4.701 1.00 0.00 C ATOM 937 CG GLN A 62 -8.427 4.085 3.680 1.00 0.00 C ATOM 938 CD GLN A 62 -9.152 2.766 3.573 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.242 1.983 4.523 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.711 2.534 2.431 1.00 0.00 N ATOM 0 H GLN A 62 -5.645 4.833 6.438 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.863 5.137 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.758 3.167 4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.757 4.129 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.147 4.864 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.010 4.338 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.614 3.206 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.250 1.679 2.291 1.00 0.00 H new ATOM 949 N ILE A 63 -6.989 7.216 3.268 1.00 0.00 N ATOM 950 CA ILE A 63 -7.497 8.552 2.968 1.00 0.00 C ATOM 951 C ILE A 63 -8.911 8.447 2.419 1.00 0.00 C ATOM 952 O ILE A 63 -9.740 9.346 2.591 1.00 0.00 O ATOM 953 CB ILE A 63 -6.608 9.215 1.869 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.127 9.136 2.242 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.014 10.661 1.603 1.00 0.00 C ATOM 956 CD1 ILE A 63 -4.762 9.840 3.541 1.00 0.00 C ATOM 0 H ILE A 63 -6.560 6.762 2.462 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.483 9.146 3.882 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.766 8.653 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.841 8.087 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.538 9.568 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.370 11.084 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.050 10.692 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.912 11.242 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.693 9.732 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.012 10.898 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.319 9.395 4.365 1.00 0.00 H new ATOM 968 N SER A 64 -9.156 7.365 1.750 1.00 0.00 N ATOM 969 CA SER A 64 -10.407 7.094 1.136 1.00 0.00 C ATOM 970 C SER A 64 -10.680 5.649 1.411 1.00 0.00 C ATOM 971 O SER A 64 -11.602 5.339 2.209 1.00 0.00 O ATOM 972 CB SER A 64 -10.311 7.367 -0.385 1.00 0.00 C ATOM 973 OG SER A 64 -11.557 7.193 -1.061 1.00 0.00 O ATOM 974 OXT SER A 64 -9.883 4.822 0.942 1.00 0.00 O ATOM 0 H SER A 64 -8.466 6.626 1.615 1.00 0.00 H new ATOM 0 HA SER A 64 -11.208 7.725 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.956 8.385 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.570 6.699 -0.823 1.00 0.00 H new ATOM 0 HG SER A 64 -11.450 6.535 -1.780 1.00 0.00 H new TER 980 SER A 64